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94703-92-1 | 2(3H)-Benzothiazolone, 5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-
CAS No: 94703-92-1 Catalog No: AG00697U MDL No:
Product Description
Catalog Number:
AG00697U
Chemical Name:
2(3H)-Benzothiazolone, 5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-
CAS Number:
94703-92-1
Molecular Formula:
C16H13N3OS
Molecular Weight:
295.3589
IUPAC Name:
5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C16H13N3OS/c1-9-5-6-19-10(2)15(18-14(19)7-9)11-3-4-13-12(8-11)17-16(20)21-13/h3-8H,1-2H3,(H,17,20)
InChI Key:
LWWMHEWQUXEBSI-UHFFFAOYSA-N
SMILES:
Cc1ccn2c(c1)nc(c2C)c1ccc2c(c1)[nH]c(=O)s2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.36g/mol
Monoisotopic Mass:
295.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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